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. 2024 Mar 26;14(14):10039–10055. doi: 10.1039/d4ra00819g

Common interacting residues among the top ten ligands and the control compound PEN within 4.0 Å against ASFVPolX.

PEN F0329 F1187 F1342 F1384 F1385 F1540 F1792 F0059 F1771 F1740
ALA 104 X X X X X X X X X
ALA 112 X X X X X X X X X
ARG 84 X X x X X X X X X X X
ARG 127 X X X X X X X X X X X
ASN 138 X X X X
GLN 139 X X X X X X X X X X
GLU 83 X X X X X
GLU 108 X X X X
GLY 82 X X X
HIS 115 X X X X X X X X X X X
ILE 124 X X X X X X X X
LEU 53 X X X X X X X X
LEU 123 X X X X X X X
LEU 137 X X X
LEU 159 X X
LYS 85 X X X X X X X X X X X
PHE 102 X X X X X X X X X X X
PHE 114 X
PHE 116 X X X X X X X X X X
THR 103 X X X X X X X X X
TYR 111 X X
TYR 140 X X X X X X X X X
VAL 120 X X X X X X X X X